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IFLAB-ZINC04497357

 MMsINC code: MMs02055218
Type: Neutral
Formula: C15H13FN2O2S
SMILES:   s1cccc1C(=O)NC1CC(=O)N(C1)c1cc(F)ccc1
InChI:   InChI=1/C15H13FN2O2S/c16-10-3-1-4-12(7-10)18-9-11(8-14(18)19)17-15(20)13-5-2-6-21-13/h1-7,11H,8-9H2,(H,17,20)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=47.8053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.345 g/mol  logS: -3.55386  SlogP: 2.4225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.097808  Sterimol/B1: 2.4081  Sterimol/B2: 3.58792  Sterimol/B3: 5.09096
  Sterimol/B4: 6.10825  Sterimol/L: 15.7988 
 
 Surface and Volume Properties
  Accessible surface: 514.72  Positive charged surface: 248.696  Negative charged surface: 266.024  Volume: 265.125
  Hydrophobic surface: 443.17  Hydrophilic surface: 71.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.